Jerzy Haber Institute of Catalysis and Surface Chemistry PAS invites applications for a Research Assistant (post-doc) in the Adsorption group. The candidates who meet the conditions stated in the act “Ustawa o Polskiej Akademii Nauk” dated 30 April 2010 (Dz.U. 2018 poz. 1475 z póź. zm.), art 89. Ust. 4 for the position of Research Assistant are encouraged to apply for the position.
The candidate will participate in research conducted within the Adsorption group concerning the parametrization of coarse-grained force fields from the MARTINI family describing the behavior of carbohydrates as part of the research project OPUS 18: According to the abbreviated project description: “The main goal of the project is to create computational tools for the effective study of carbohydrate behavior and systems containing carbohydrates through molecular dynamics simulation. These tools will have the character of so-called force fields, i.e., sets of parameters approximating the interactions that occur in real systems. (…) We want to focus on so-called coarse-grained models, which are based on a simplified representation of molecules, introducing pseudo-atoms simulating the behavior of groups of real atoms. (…) We intend to create a coherent set of parameters covering a range of natural carbohydrates with various functionalizations, different types of glycosidic bonds, possible chain branches, etc. The aforementioned parameters will be compatible with those already existing and dedicated to other types of biomolecules (proteins, lipids, nucleic acids…) (…).”
In particular, the Assistant’s responsibilities will include:
- Conducting simulations of a series of biomolecular systems using the molecular dynamics method at the all-atom and coarse-grained levels;
- Analyzing collected data and interpreting the results of the mentioned simulations with a focus on conformational and thermodynamic properties;
- Developing tools (scripts) for automating procedures;
- Preparing publications for high-impact factor journals;
- Reviewing scientific literature.